N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H19BrClNO2 — CID 62460153

IUPACN-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(OCC2CCC(CNC3CC3)O2)c(Br)c1
InChIInChI=1S/C15H19BrClNO2/c16-14-7-10(17)1-6-15(14)19-9-13-5-4-12(20-13)8-18-11-2-3-11/h1,6-7,11-13,18H,2-5,8-9H2
InChIKeyRWDCXVALDSAHIU-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.78
Rot. Bonds6

About N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62460153) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62460153
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC NameN-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(OCC2CCC(CNC3CC3)O2)c(Br)c1
InChIInChI=1S/C15H19BrClNO2/c16-14-7-10(17)1-6-15(14)19-9-13-5-4-12(20-13)8-18-11-2-3-11/h1,6-7,11-13,18H,2-5,8-9H2
InChIKeyRWDCXVALDSAHIU-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459550
N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62486419
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62459378
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62453151
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62784526
3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
CID 24902414
2-[[2-bromo-4-(4-chlorophenyl)phenoxy]methyl]oxirane
CID 21396205
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
1-[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 63216507
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62460153) is N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is Clc1ccc(OCC2CCC(CNC3CC3)O2)c(Br)c1.
What is the InChIKey of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is RWDCXVALDSAHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c16-14-7-10(17)1-6-15(14)19-9-13-5-4-12(20-13)8-18-11-2-3-11/h1,6-7,11-13,18H,2-5,8-9H2.
What are the key properties of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 360.68 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).